2(1H)-Pyrimidinone, 4-Amino-1-[4-Amino-6-O-(3-Amino-3-Deoxy-β-D-Glucopyranosyl)-4-Deoxy-D-Glycero-D-Galacto-β-D-Gluco-Undecopyranosyl]-

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Formula C21H37N5O14+
IUPAC Name 4-amino-1-[(2r,3r,4s,5s,6s)-5-amino-6-[(1r,2s,3s,4r,5r)-1-[(2s,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,5,6-pentahydroxy-hexyl]-3,4-dihydroxy-tetrahydropyran-2-yl]pyrimidin-2-one
Molecular Mass 583.544 g·mol−1
Heat of Formation -2549.7 ± 16.7 kJ·mol−1
Dipole Moment 9.06 ± 1.08 D
Volume 635.23 Å 3
Surface Area 493.15 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
InChIKey VQQSDVBOXQHCHU-SKPOXZENSA-N
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